| Canonical Smiles | C1=NNC(=S)O1 |
|---|---|
| IUPAC Name | 3H-1,3,4-oxadiazole-2-thione |
| InChIKey | RUBRCWOFANAOTP-UHFFFAOYSA-N |
| INCHI | 1S/C2H2N2OS/c6-2-4-3-1-5-2/h1H,(H,4,6) |
| Molecular Weight | 102.120 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3,4-oxadiazoles |
| Alternative Parents | Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 3, and 4, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 102.120 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 101.989 Da |
| Monoisotopic Mass | 101.989 Da |
| Topological Polar Surface Area | 65.700 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 99.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
